Unable to change LAMMPS input settings via controller

stfc / janus

collection of scripts to train and generate data for machine learnt interatomic potentials

BSD 3-Clause "New" or "Revised" License

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Unable to change LAMMPS input settings via controller #42

Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

Similar to #39, we are unable to pass settings to lammps_input.format_lammps_input from its main access point: controller.write_extrapolations_lammps_script.